7282-4717 Screening compound: 8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-4717 Screening compound: 8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-4717 Screening compound: 8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-4717
8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7282-4717

Molecular Formula

C22H23N5O2 (C22 H23 N5 O2)

Compound Name

8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(benzylamino)-13-dimethyl-7-[(3-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(Cn2c(NCc3ccccc3)nc(N(C)C(N3C)=O)c2C3=O)c1

InChI

InChI=1S/C22H23N5O2/c1-15-8-7-11-17(12-15)14-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)23-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,23,24)

InChI Key

TXFUAUQHVIPWRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02984320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.32

Polar Surface Area

54.846

Acid Dissociation Constant (pKa)

18.00

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 7282-4717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-4717?
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What is the minimum amount of 7282-4717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-4717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-4717
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7282-4717 available by request